6HV6

Crystal structure of PatoxP, a cysteine protease-like domain of Photorhabdus asymbiotica toxin PaTox

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.2037
Spacegroup name	P 21 21 21
Unit cell lengths	63.403, 76.029, 76.324
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.864 - 2.001
R-factor	0.1758
Rwork	0.175
R-free	0.21440
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.738
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.900	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.261	2.298
Number of reflections	25589	1856
<I/σ(I)>	14.7	2.5
Completeness [%]	100.0	99.9
Redundancy	95.5	62
CC(1/2)	0.997	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	25.7% w/v Polyethylene glycol 8000, 150 mM HEPES pH 7.5, 60 mM potassium sodium tartrate